LIPID MAPS

Structure Database (LMSD)

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Common Name

galgactosyl-paraglobside(d18:1/20:0)

Systematic Name

Galβ1-3Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ-Cer(d18:1/20:0)

Synonyms

LM ID

LMSP0505BJ03

Formula

C₇₀H₁₂₈N₂O₂₈

Exact Mass

Calculate m/z

1444.865368

Sum Composition

Hex(4)-HexNAc-Cer 38:1;O2

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

NINMMASVOLIHCN-FUWYUXLLSA-N

InChi (Click to copy)

InChI=1S/C70H128N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(80)72-43(44(79)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-91-67-59(88)57(86)63(49(40-77)96-67)98-70-60(89)64(53(82)46(37-74)94-70)99-66-51(71-42(3)78)55(84)62(48(39-76)95-66)97-69-61(90)65(54(83)47(38-75)93-69)100-68-58(87)56(85)52(81)45(36-73)92-68/h32,34,43-49,51-70,73-77,79,81-90H,4-31,33,35-41H2,1-3H3,(H,71,78)(H,72,80)/b34-32+/t43-,44+,45+,46+,47+,48+,49+,51+,52-,53-,54-,55+,56-,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67+,68-,69-,70-/m0/s1

SMILES (Click to copy)

[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3NC(=O)C)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC